CID 99574

54219-78-2

Structural Information

Molecular Formula
C13H19NO3
SMILES
COC1=CC(=CC(=C1O)CNCCO)CC=C
InChI
InChI=1S/C13H19NO3/c1-3-4-10-7-11(9-14-5-6-15)13(16)12(8-10)17-2/h3,7-8,14-16H,1,4-6,9H2,2H3
InChIKey
PNTNVWPWHCLCHD-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.3
[M+Na]+ 260.12571 161.1
[M-H]- 236.12921 155.3
[M+NH4]+ 255.17031 170.9
[M+K]+ 276.09965 157.5
[M+H-H2O]+ 220.13375 148.1
[M+HCOO]- 282.13469 176.3
[M+CH3COO]- 296.15034 192.1
[M+Na-2H]- 258.11116 157.5
[M]+ 237.13594 155.9
[M]- 237.13704 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.